Sugi Predict

Sugi Predict / Compounds / SCHEMBL4569260

SCHEMBL4569260

SCHEMBL4569260

CC(C)CCC1CCN(CCC#N)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.48
▸ PKM P14618 1/20 0.48
▸ POLB P06746 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MAPT P10636 3/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ TSHR P16473 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ GAA P10253 3/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ JAK1 P23458 1/20 0.33
▸ NOS3 P29474 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ TLR9 Q9NR96 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23105099 0.82 ARG1 (0.40) LMNACHRM4NOS3NOS1NOS2
SCHEMBL13850082 0.82 ALDH1A1 (0.60) ALDH1A1PKMPOLBSMN1; SMN2MAPT
SCHEMBL10282362 0.81 ALDH1A1 (0.54) ALDH1A1PKMPOLBSMN1; SMN2MAPT
SCHEMBL4387600 0.80 ALDH1A1 (0.58) ALDH1A1PKMPOLBSMN1; SMN2MAPT
SCHEMBL13967023 0.79 GNAO1 (0.42) SMN1; SMN2LMNA
SCHEMBL16419882 0.78 ALDH1A1 (0.67) ALDH1A1PKMPOLBSMN1; SMN2MAPT
SCHEMBL26445315 0.78 DAO (0.38) LMNA
SCHEMBL26505364 0.78 ALDH1A1 (0.50) ALDH1A1PKMPOLBSMN1; SMN2MAPT
SCHEMBL12308359 0.77 SLC18A3 (0.39) ALDH1A1LMNAKMT2ACHRM4TLR8
SCHEMBL24022466 0.77 POLB (0.42) ALDH1A1PKMPOLBSMN1; SMN2MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321050-A1 Heterocyclic Compounds and Uses Thereof MILLENNIUM PHARMACEUTICALS, INC. 2023-10-12 — — US disclosed
US-20230321050-A1 Heterocyclic Compounds and Uses Thereof MILLENNIUM PHARMACEUTICALS, INC. 2023-10-12 — — US disclosed
US-11547697-B2 Heterocyclic compounds and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2023-01-10 — — US disclosed
US-20190350906-A1 Heterocyclic Compounds and Uses Thereof INTELLIKINE, LLC 2019-11-21 — — US disclosed
US-20180042902-A1 Heterocyclic Compounds and Uses Thereof INTELLIKINE, LLC 2018-02-15 — — US disclosed
US-20180042902-A1 Heterocyclic Compounds and Uses Thereof INTELLIKINE, LLC 2018-02-15 — — US disclosed
US-9718815-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-08-01 — — US disclosed
US-9682141-B2 Combination of kinase inhibitors and uses thereof INTELLIKINE LLC (US) 2017-06-20 — — US disclosed
US-9682141-B2 Combination of kinase inhibitors and uses thereof INTELLIKINE LLC (US) 2017-06-20 — — US disclosed
US-20160235758-A1 COMBINATION OF MTOR INHIBITORS AND PI3-KINASE INHIBITORS, AND USES THEREOF INTELLIKINE LLC 2016-08-18 — — US disclosed
US-8901133-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2014-12-02 — — US disclosed
US-20140323721-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE LLC 2014-10-30 — — US disclosed
US-20140296207-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. 2014-10-02 — — US disclosed
US-8785454-B2 Heterocyclic compounds and uses thereof INTELLIKINE LLC (US) 2014-07-22 — — US disclosed
US-20130261102-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2013-10-03 — — US disclosed
US-20130035324-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2013-02-07 — — US disclosed
US-20130035324-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2013-02-07 — — US disclosed
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. 2012-12-27 — — US disclosed
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE LLC (US) 2012-11-22 — — US disclosed
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2012-05-17 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230321050-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB ALDH1A1 2379/4885PKM 504/4885POLB 2432/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB ALDH1A1 3154/4885PKM 309/4885POLB 1743/4885
US-11547697-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB ALDH1A1 2379/4885PKM 504/4885POLB 2432/4885
US-20140323721-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB ALDH1A1 2379/4885PKM 504/4885POLB 2432/4885
US-20130035324-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB ALDH1A1 2379/4885PKM 504/4885POLB 2432/4885
US-20180042902-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB ALDH1A1 2379/4885PKM 504/4885POLB 2432/4885
US-20160235758-A1 COMBINATION OF MTOR INHIBITORS AND PI3-KINASE INHIBITORS, AND USES THEREOF MTOR, RPTOR, RICTOR ALDH1A1 4784/4885PKM 718/4885POLB 3320/4885
US-20190350906-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB ALDH1A1 2379/4885PKM 504/4885POLB 2432/4885
US-20130261102-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB ALDH1A1 2379/4885PKM 504/4885POLB 2432/4885
US-20140296207-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, AKT3, PIK3CD ALDH1A1 3577/4885PKM 609/4885POLB 1898/4885
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB ALDH1A1 3050/4885PKM 640/4885POLB 1924/4885
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF MTOR, AKT2, MTMR1 ALDH1A1 4563/4885PKM 624/4885POLB 2762/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.